SCHEMBL2430993

SCHEMBL2430993

CCCCCC/C=C(/CCC)c1ccccc1C=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.41
TDP1 Q9NUW8 1/20 0.38
SOAT2 O75908 1/20 0.38
SOAT1 P35610 1/20 0.38
LMNA P02545 3/20 0.38
TSHR P16473 3/20 0.38
ALDH1A1 P00352 2/20 0.38
CYSLTR2 Q9NS75 2/20 0.37
CYSLTR1 Q9Y271 2/20 0.37
FAAH O00519 3/20 0.36
EPHX2 P34913 2/20 0.36
EP300 Q09472 1/20 0.36
CYP3A4 P08684 2/20 0.36
TP53 P04637 1/20 0.36
MAPK1 P28482 1/20 0.36
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2430994 1.00 TBXAS1 (0.41) TBXAS1TDP1SOAT2SOAT1LMNA
SCHEMBL28430631 0.76 SOAT2 (0.52) TDP1SOAT2SOAT1LMNATSHR
SCHEMBL13990162 0.76 HTT (0.49) TDP1LMNATSHRALDH1A1CYP3A4
SCHEMBL4805771 0.74 CNR2 (0.45) TBXAS1CNR1CNR2SLC6A3
SCHEMBL4805780 0.74 CNR2 (0.45) TBXAS1CNR1CNR2SLC6A3
SCHEMBL18584422 0.73 SOAT2 (0.40) TBXAS1SOAT2SOAT1TSHRALDH1A1
SCHEMBL18584423 0.73 SOAT2 (0.40) TBXAS1SOAT2SOAT1TSHRALDH1A1
SCHEMBL88418 0.72 GABRA1 (0.46) TDP1LMNATSHRALDH1A1CYP3A4
SCHEMBL27760896 0.70 TDP1 (0.41) TDP1LMNATSHRALDH1A1TP53
SCHEMBL9101156 0.70 ALDH1A1 (0.74) TDP1LMNATSHRALDH1A1CYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2550258-A2 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES Abbvie Inc. (US) 2013-01-30 EP disclosed
WO-2011119345-A2 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2011-09-29 WO disclosed